06E
Summary
| Name: | 6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid |
| Formula: | C16 H17 Br N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 425.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24) |
| InChIKey | InChI | 1.03 | SJECIJXSSTYSID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br |
